1st Meeting of Post-graduation in Chemistry of Paraná von Lázaro, Sergio Ricardo, Whonrath, Karen, Garcia, Jarem Raul, Dos Anjos, Vanessa Egéa

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Exploring the antioxidant potential of hydroxychalcones: A comprehensive investigation integrating theoretical and experimental analyses von Kerek, André Luis, Rosa, Guilherme Bonifácio, Maranha, Filipy Gobbo, Sens, Larissa, Rozada, Thiago de Castro, Wohnrath, Karen, de Lázaro, Sérgio Ricardo, Fiorin, Barbara Celânia

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A broad theoretical investigation of R‐3, R3c, and R‐3c polymorphs of FeCrO3 von Lacerda, Luis Henrique da Silveira, Lazaro, Sergio Ricardo

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Theoretical investigation on the surface and morphological properties of lead nickelate multiferroics: vacancy dependency von da Silveira Lacerda, Luis Henrique, de Lazaro, Sergio Ricardo

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Role of Surfaces in the Magnetic and Ozone Gas-Sensing Properties of ZnFe2O4 Nanoparticles: Theoretical and Experimental Insights von Cristina de Oliveira, Regiane, Pontes Ribeiro, Renan Augusto, Cruvinel, Guilherme Henrique, Ciola Amoresi, Rafael Aparecido, Carvalho, Maria Helena, Aparecido de Oliveira, Adilson Jesus, Carvalho de Oliveira, Marisa, Ricardo de Lazaro, Sergio, Fernando da Silva, Luís, Catto, Ariadne Cristina, Simões, Alexandre Zirpoli, Sambrano, Julio Ricardo, Longo, Elson

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Surface and morphology investigation of FeCrO3 material in ilmenite-, corundum- and lithium niobate- polymorphs von Lacerda, L.H.S., de Lazaro, Sergio Ricardo

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Synthesis, characterization and anticancer activities of cationic η6-p-cymene ruthenium(II) complexes containing phosphine and nitrogenous ligands von Dimbarre Lao Guimarães, Ivelise, Marszaukowski, Flávia, Buhrer Rutka, Priscila, Felipe Borge, Luis, Augusto Pontes Ribeiro, Renan, Ricardo de Lazaro, Sergio, Castellen, Patrícia, Sagoe-Wagner, Araba, Golsteyn, Roy M., Boeré, René T., Wohnrath, Karen

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The role of exchange-correlation functional on the description of multiferroic properties using density functional theory: the ATiO3 (A = Mn, Fe, Ni) case study von Ribeiro, Renan Augusto Pontes, de Lazaro, Sergio Ricardo, Gatti, Carlo

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Structural and Electronic Properties of the Magnetic and Nonmagnetic X0.125Mg0.875B2 (X = Nb, Ni, Fe) Materials: A DFT/HSE06 Approach to Investigate Superconductor Behavior von Rosa, Guilherme Bonifácio, Lacerda, Luis Henrique da Silveira, de Lazaro, Sergio Ricardo

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1st Meeting of Post-graduation in Chemistry of Paraná von Sergio Ricardo Lázaro, Karen Whonrath, Jarem Raul Garcia, Vanessa Egéa dos Anjos

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Unraveling the relationship between exposed surfaces and the photocatalytic activity of Ag3PO4: an in-depth theoretical investigation von Lipsky, Felipe, Luis Henrique da Silveira Lacerda, de Lazaro, Sérgio Ricardo, Longo, Elson, Andrés, Juan, San-Miguel, Miguel Angel

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Influence of the oxygen vacancy and Ag-doping on the magnetic and electronic properties of the SrFeO3 material von Rosa, Guilherme Bonifácio, Lacerda, Luis Henrique da Silveira, de Lazaro, Sergio Ricardo

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A broad theoretical investigation of R ‐3, R 3 c , and R ‐3 c polymorphs of FeCrO 3 von Lacerda, Luis Henrique da Silveira, de Lazaro, Sergio Ricardo

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Density Functional Theory investigation of rhombohedral multiferroic oxides for photocatalytic water splitting and organic photodegradation von Lacerda, Luis Henrique Silveira, de Lazaro, Sergio Ricardo

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Synthesis, antimicrobial activity and advances in structure-activity relationships (SARs) of novel tri-substituted thiazole derivatives von Reddy, Guda Mallikarjuna, Garcia, Jarem Raul, Reddy, Vemulapati Hanuman, de Andrade, Ageo Meier, Camilo, Alexandre, Pontes Ribeiro, Renan Augusto, de Lazaro, Sergio Ricardo

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Density Functional Theory Calculations

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Magneto-optical coupling and Kerr effect in PbNiO3, PbCrO3, and PbMnO3 multiferroics: An excited-states approach von Lacerda, Luis Henrique da Silveira, de Lazaro, Sergio Ricardo

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A DFT investigation on magnetoelectric coupling in PbBO3 (B = V, Cr, Mn, Co, and Cu) materials: The influence on multiferroic properties von Lacerda, Luis Henrique da Silveira, de Lazaro, Sergio Ricardo

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Unraveling the influence of defects and morphology on TiSe2 properties from a DFT approach von Rosa, Guilherme Bonifácio, Ribeiro, Renan Augusto Pontes, San-Miguel, Miguel A., Lacerda, Luis Henrique da Silveira, de Lazaro, Sergio Ricardo

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Multiferroism and magnetic ordering in new NiBO^sub 3^ (B?=?Ti, Ge, Zr, Sn, Hf and Pb) materials: A DFT study von da Silveira Lacerda, Luis Henrique, de Lazaro, Sergio Ricardo

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